3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
TL;DR: 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) (CAS 123376-04-5) is a chemical compound with molecular formula C24H34O2S2 and molecular weight 418.2 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9S,10R,13R,14S,17S)-17-acetyl-13-(1,3-dithiolan-2-ylmethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: DCCEM, 18-(1,3-Dithiolan-2-yl)pregn-4-ene-3,20-dione, 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal), Pregn-4-ene-18-carboxaldehyde, 3,20-dioxo-, cyclic 18-(1,2-ethanediyl mercaptal), (8S,9S,10R,13R,14S,17S)-17-acetyl-13-(1,3-dithiolan-2-ylmethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Technical Specifications
| Molecular Formula | C24H34O2S2 |
| Molecular Weight | 418.2 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.2 Da |
| Heavy Atoms | 28 |
| Complexity | 709.0 |
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CC5SCCS5 |
| InChIKey | PFDJFFZMFSJHKT-XCUVIRGDSA-N |
Chemical Property Profile of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
Property Insights of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
The XLogP value of 4.9 indicates that 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal). Following Lipinski's Rule of Five, 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)?
The CAS number of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) is 123376-04-5.
What is the molecular formula of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)?
The molecular formula of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) is C24H34O2S2.
What is the molecular weight of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)?
The molecular weight of 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) is 418.2 g/mol.
Where can I buy 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)?
You can request a quote for 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)?
Yes, CoreyChem provides custom synthesis services for 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.